(4-Aminophenylthio)acetic acid

Base Information

• Chemical Name: (4-Aminophenylthio)acetic acid
• CAS No.: 104-18-7
• Molecular Formula: C8H9NO2S
• Molecular Weight: 183.231
• Hs Code.: 29309090
• European Community (EC) Number: 203-182-1
• NSC Number: 43555
• UNII: 6ZV6XHL9WA
• DSSTox Substance ID: DTXSID50146205
• Nikkaji Number: J182.179B
• Mol file: 104-18-7.mol

Synonyms:104-18-7;(4-Aminophenylthio)acetic acid;2-(4-Aminophenylthio)acetic acid;Acetic acid, [(4-aminophenyl)thio]-;2-((4-Aminophenyl)thio)acetic acid;2-(4-aminophenyl)sulfanylacetic acid;p-Aminophenylthioacetic acid;p-Aminophenylmercaptoacetic acid;p-Aminothiophenoxyacetic acid;EINECS 203-182-1;NSC-43555;Acetic acid, [(p-aminophenyl)thio]-;Acetic acid, ((4-aminophenyl)thio)-;2-[(4-aminophenyl)sulfanyl]acetic acid;AI3-26085;2-[(4-Aminophenyl)thio]acetic acid;Acetic acid, ((p-aminophenyl)thio)-;Acetic acid,2-[(4-aminophenyl)thio]-;MFCD00025360;6ZV6XHL9WA;(4-aminophenylthio)eddikesyre;SCHEMBL883102;4-(Aminophenylthio)acetic acid;4-aminophenylsulfanylacetic acid;[(p-Aminophenyl)thio]acetic acid;DTXSID50146205;[(4-Aminophenyl)thio]acetic acid;S-(p-Aminophenyl)thioglycolic acid;2-((4-Aminophenyl)thio)aceticacid;4-Cyclohexyl-benzenesulfonylchloride;NSC43555;(4-Aminophenylsulfanyl)ethanoic acid;NSC 43555;S-(p-Aminophenyl)mercaptoacetic acid;AKOS005206813;.alpha.-(4-Aminophenylthio)acetic acid;[(4-Aminophenyl)sulfanyl]acetic acid #;Acetic acid, 2-[(4-aminophenyl)thio]-;AS-47758;CS-0318877;FT-0608581;2-(4-Aminophenylthio)acetic acid, >=98.0%;F16048;EN300-1168865;J-001127

Chemical Property of (4-Aminophenylthio)acetic acid

Chemical Property:

• Appearance/Colour: light khaki crystalline powder
• Vapor Pressure: 2.69E-07mmHg at 25°C
• Melting Point: 197-203 °C
• Boiling Point: 405.3 °C at 760 mmHg
• PKA: 3.21±0.10(Predicted)
• Flash Point: 198.9 °C
• PSA: 88.62000
• Density: 1.35 g/cm³
• LogP: 2.02670
• Storage Temp.: -20°C Freezer
• Solubility.: Soluble in methanol, acetone, toluene, n-octanol, acetonitrile,
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.03539970
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Aminophenylthio)acetic acid ≥98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)SCC(=O)O
• Uses: Synthetic intermediate for dyes and pharmaceuticals. It can react with 2-phenyl-benzo[d][1,3]oxazin-4-one to get 2-(Phenyl-4-(3H)-quinazolyl)-phenyl-4'-mercaptoacetic acid. This reaction needs solvents pyridine and H2O by heating. 2-(4-Aminophenylthio)acetic Acid is a useful reagent for preparing visible light-sensitive photochromic azobenzene compounds.

Technology Process of (4-Aminophenylthio)acetic acid

There total 6 articles about (4-Aminophenylthio)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-(4-nitrophenylthio)acetic acid (3406-75-5) → 2-(4-aminophenylthio)acetic acid (104-18-7)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1557/JMR.2000.0405

Reference yield:

4-chlorobenzonitrile (100-00-5) → 2-(4-aminophenylthio)acetic acid (104-18-7)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol; concentrated aqueous NaOH-solution

2: iron; acetic acid

With sodium hydroxide; ethanol; iron; acetic acid;

Reference yield:

sodium monochloroacetic acid (3926-62-3) → 2-(4-aminophenylthio)acetic acid (104-18-7)

Guidance literature:

upstream raw materials:

2-(4-nitrophenylthio)acetic acid

4-chlorobenzonitrile

chloroacetic acid

acetic acid

Downstream raw materials:

{4-[3-(2-Chloro-ethyl)-ureido]-phenylsulfanyl}-acetic acid

methyl [(4-aminophenyl)sulfanyl]acetate

3-<4-(3H)-Quinazolyl>-methyl-4'-aminophenylmercaptoacetic acid

2--phenyl-4'-mercaptoacetic acid